SCHEMBL4885846

SCHEMBL4885846

CCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.63
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA7 P36544 1/20 0.57
LMNA P02545 2/20 0.56
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LTA4H P09960 2/20 0.53
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13959555 0.95 FFAR1 (0.64) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL13979550 0.93 FFAR1 (0.62) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL8275557 0.91 NPC1 (0.65) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL16803105 0.89 FFAR1 (0.63) FFAR1CHRNB4CHRNA3CHRNA7DRD2
SCHEMBL27258307 0.87 FFAR1 (0.61) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL9011908 0.87 FFAR1 (0.60) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL10595710 0.86 KCNA3 (0.67) CHRNA7LMNAMEN1KMT2ALTA4H
SCHEMBL11289148 0.85 LTA4H (0.66) FFAR1CHRNB4CHRNA3CHRNA7LMNA
SCHEMBL1373729 0.84 KDM4E (0.59) CHRNB4CHRNA3CHRNA7LMNAMEN1
SCHEMBL839323 0.84 DRD2 (0.71) FFAR1DRD2DRD4DRD3S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20190314346-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-8822707-B2 Nucleophile assisting leaving groups FLORIDA ATLANTIC UNIVERSITY (US) 2014-09-02 US disclosed
US-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
WO-2006060142-A2 NUCLEOPHILE ASSISTING LEAVING GROUPS FLORIDA ATLANTIC UNIVERSITY (US) 2006-06-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190314346-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 FFAR1 208/4885CHRNB4 4070/4885CHRNA3 3321/4885
US-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced OSTC, STS, TST FFAR1 3301/4885CHRNB4 3000/4885CHRNA3 2245/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 FFAR1 208/4885CHRNB4 4070/4885CHRNA3 3321/4885
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 FFAR1 208/4885CHRNB4 4070/4885CHRNA3 3321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.